ethyl [(5-methyl-3-nitro-1H-pyrazol-1-yl)methanesulfinyl]acetate
Chemical Structure Depiction of
ethyl [(5-methyl-3-nitro-1H-pyrazol-1-yl)methanesulfinyl]acetate
ethyl [(5-methyl-3-nitro-1H-pyrazol-1-yl)methanesulfinyl]acetate
Compound characteristics
| Compound ID: | Y504-8955 |
| Compound Name: | ethyl [(5-methyl-3-nitro-1H-pyrazol-1-yl)methanesulfinyl]acetate |
| Molecular Weight: | 275.28 |
| Molecular Formula: | C9 H13 N3 O5 S |
| Smiles: | CCOC(CS(Cn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0012 |
| logD: | 0.0012 |
| logSw: | -1.5724 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.027 |
| InChI Key: | RMYCOCPDROKADC-UHFFFAOYSA-N |